N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide

C19H20N2O3 — CID 75417280

IUPACN-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(C(C)O)cc3)[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-12(22)14-5-3-13(4-6-14)11-20-19(23)18-9-15-7-8-16(24-2)10-17(15)21-18/h3-10,12,21-22H,11H2,1-2H3,(H,20,23)
InChIKeyHJTOIODTOSDUTK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.16
Rot. Bonds5

About N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide

N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 75417280) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID75417280
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(C(C)O)cc3)[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-12(22)14-5-3-13(4-6-14)11-20-19(23)18-9-15-7-8-16(24-2)10-17(15)21-18/h3-10,12,21-22H,11H2,1-2H3,(H,20,23)
InChIKeyHJTOIODTOSDUTK-UHFFFAOYSA-N
XLogP3.16
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 39983983
6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 60515636
N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55953711
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide
CID 99903134
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
CID 90596329
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide (CID 75417280) is N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3ccc(C(C)O)cc3)[nH]c2c1.
What is the InChIKey of N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is HJTOIODTOSDUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(22)14-5-3-13(4-6-14)11-20-19(23)18-9-15-7-8-16(24-2)10-17(15)21-18/h3-10,12,21-22H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide?
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 75417280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).